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1

Molecular Dynamics studies on the structure and interactions of ionic liquids containing amino-acid anions

Ruivo, Diana, Canongia Lopes, Jose Nuno, Deive, Francisco J, Esperança, José M.S.S., Rebelo, Luis Paulo N., Rodriguez, Ana, Shimizu, Karina

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.70 MB

english, 2018

2

Surface tension of ionic liquids and ionic liquid solutions

Tariq, Mohammad, Freire, Mara G., Saramago, Benilde, Coutinho, João A. P., Lopes, José N. Canongia, Rebelo, Luís Paulo N.

Journal:

Chemical Society Reviews

Year:

2012

Language:

english

File:

PDF, 7.33 MB

english, 2012

3

Nonpolar, Polar, and Associating Solutes in Ionic Liquids

Canongia Lopes, José N., Costa Gomes, Margarida F., Pádua, Agílio A. H.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 190 KB

english, 2006

4

The distillation and volatility of ionic liquids

Earle, Martyn J., Esperança, José M.S.S., Gilea, Manuela A., Canongia Lopes, José N., Rebelo, Luís P.N., Magee, Joseph W., Seddon, Kenneth R., Widegren, Jason A.

Journal:

Year:

2006

Language:

english

File:

PDF, 183 KB

english, 2006

5

On the Critical Temperature, Normal Boiling Point, and Vapor Pressure of Ionic Liquids

Filipe, Eduardo, Rebelo, Luis P. N., Canongia Lopes, José N., Esperança, José M. S. S.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 164 KB

english, 2005

6

Density, Thermal Expansion and Viscosity of Cholinium-Derived Ionic Liquids

Anabela J. L. Costa, Mário R. C. Soromenho, Dr. Karina Shimizu, Dr. Isabel M. Marrucho, Dr. José M. S. S. Esperança, Dr. José N. Canongia Lopes, Prof. Luís Paulo N. Rebelo

Journal:

Year:

2012

Language:

english

File:

PDF, 1.29 MB

english, 2012

7

A molecular dynamics study on the thickness and post-critical strength of carbon nanotubes

Nuno Silvestre, Bruno Faria, José N. Canongia Lopes

Journal:

Composite Structures

Year:

2012

Language:

english

File:

PDF, 1.21 MB

english, 2012

8

Volatility of Aprotic Ionic Liquids — A Review

M. S. S. Esperança, José, Canongia Lopes, José N., Tariq, Mohd, Santos, Luís M. N. B. F., Magee, Joseph W., Rebelo, Luís Paulo N.

Journal:

Journal of Chemical & Engineering Data

Year:

2010

Language:

english

File:

PDF, 237 KB

english, 2010

9

Polymorphism in 4′-Hydroxyacetophenone: A Molecular Dynamics Simulation Study

Bernardes, Carlos E. S., Minas da Piedade, Manuel E., Canongia Lopes, José N.

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 873 KB

english, 2012

10

High-performance extraction of alkaloids using aqueous two-phase systems with ionic liquids

Freire, Mara G., Neves, Catarina M. S. S., Marrucho, Isabel M., Canongia Lopes, José N., Rebelo, Luís Paulo N., Coutinho, João A. P.

Journal:

Green Chemistry

Year:

2010

Language:

english

File:

PDF, 264 KB

english, 2010

11

Molecular Dynamics Study of the Thermodynamic Properties of Calcium Apatites. 2. Monoclinic Phases

Cruz, Fernando J. A. L., Canongia Lopes, José N., Calado, Jorge C. G.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 220 KB

english, 2006

12

Salting-Out Effects in Aqueous Ionic Liquid Solutions: Cloud-Point Temperature Shifts †

Trindade, Joana R., Visak, Zoran P., Blesic, Marijana, Marrucho, Isabel M., Coutinho, João A. P., Canongia Lopes, José N., Rebelo, Luis P. N.

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 77 KB

english, 2007

13

New catanionic surfactants based on 1-alkyl-3-methylimidazolium alkylsulfonates, [CnH2n+1mim][CmH2m+1SO3]: mesomorphism and aggregation

Blesic, Marijana, Swadźba-Kwaśny, Małgorzata, Holbrey, John D., Canongia Lopes, José N., Seddon, Kenneth R., Rebelo, Luís Paulo N.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.01 MB

english, 2009

14

Partition Coefficients of Alkaloids in Biphasic Ionic-Liquid-Aqueous Systems and their Dependence on the Hofmeister Series

Freire, Mara G., Teles, Ana Rita R., Canongia Lopes, José N., Rebelo, Luís Paulo N., Marrucho, Isabel M., Coutinho, João A. P.

Journal:

Separation Science and Technology

Year:

2012

Language:

english

File:

PDF, 336 KB

english, 2012

15

The magic of aqueous solutions of ionic liquids: ionic liquids as a powerful class of catanionic hydrotropes

Cláudio, Ana Filipa M., Neves, Márcia C., Shimizu, Karina, Canongia Lopes, José N., Freire, Mara G., Coutinho, João A. P.

Journal:

Green Chemistry

Year:

2015

Language:

english

File:

PDF, 1.79 MB

english, 2015

16

Nano-Segregation and Structuring in the Bulk and at the Surface of Ionic-Liquid Mixtures

Bruce, Duncan W., Cabry, Christopher P., Nuno Canongia Lopes, Jose, Costen, Matthew L, D'Andrea, Lucia, Grillo, Isabelle, Marshall, Brooks C., McKendrick, Kenneth G., Minton, Timothy K., Purcell, Simo

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 3.58 MB

english, 2017

17

Structure and dynamics of ionic liquids: general discussion

Addicoat, Matthew, Atkin, Rob, Canongia Lopes, José Nuno, Costa Gomes, Margarida, Firestone, Millicent, Gardas, Ramesh, Halstead, Simon, Hardacre, Christopher, Hardwick, Laurence J., Holbrey, John, Hu

Journal:

Faraday Discussions

Year:

2018

Language:

english

File:

PDF, 1.73 MB

english, 2018

18

Phase behaviour and thermodynamics: general discussion

Abbott, Andrew, Abe, Hiroshi, Aldous, Leigh, Atkin, Rob, Bendová, Magdalena, Busato, Matteo, Canongia Lopes, José Nuno, Costa Gomes, Margarida, Cross, Benjamin, Dietz, Carin, Everts, Jeffrey, Fireston

Journal:

Faraday Discussions

Year:

2018

Language:

english

File:

PDF, 694 KB

english, 2018

19

Ionic liquids at interfaces: general discussion

Abbott, Andrew, Addicoat, Matthew, Aldous, Leigh, Bhuin, Radha Gobinda, Borisenko, Natalia, Canongia Lopes, José Nuno, Clark, Ryan, Coles, Samuel, Costa Gomes, Margarida, Cross, Benjamin, Everts, Jeff

Journal:

Faraday Discussions

Year:

2018

Language:

english

File:

PDF, 962 KB

english, 2018

20

What Far-Infrared Spectra Can Contribute to the Development of Force Fields for Ionic Liquids Used in Molecular Dynamics Simulations

Thorsten Köddermann, Koichi Fumino, Ralf Ludwig, José N. Canongia Lopes, Agílio A. H. Pádua

Journal:

Year:

2009

Language:

english

File:

PDF, 274 KB

english, 2009

21

High-temperature surface tension and density measurements of 1-alkyl-3-methylimidazolium bistriflamide ionic liquids

Mohammad Tariq, Ana P. Serro, José L. Mata, Benilde Saramago, José M.S.S. Esperança, José N. Canongia Lopes, Luís Paulo N. Rebelo

Journal:

Fluid Phase Equilibria

Year:

2010

Language:

english

File:

PDF, 689 KB

english, 2010

22

Studies on the density, heat capacity, surface tension and infinite dilution diffusion with the ionic liquids [C4mim][NTf2], [C4mim][dca], [C2mim][EtOSO3] and [Aliquat][dca]

Carlos A. Nieto de Castro, Elisa Langa, Ana L. Morais, Manuel L. Matos Lopes, Maria J.V. Lourenço, Fernando J.V. Santos, M. Soledade C.S. Santos, José N. Canongia Lopes, Helena I.M. Veiga, Mafalda Mac

Journal:

Fluid Phase Equilibria

Year:

2010

Language:

english

File:

PDF, 1.84 MB

english, 2010

23

Binary mixtures of ionic liquids with a common ion revisited: A molecular dynamics simulation study

Karina Shimizu, M. Tariq, Luís P.N. Rebelo, José N. Canongia Lopes

Journal:

Journal of Molecular Liquids

Year:

2010

Language:

english

File:

PDF, 778 KB

english, 2010

24

Molecular dynamics simulations of monoclinic calcium apatites: A universal equation of state

Fernando J.A.L. Cruz, José N. Canongia Lopes, Jorge C.G. Calado

Journal:

Fluid Phase Equilibria

Year:

2007

Language:

english

File:

PDF, 522 KB

english, 2007

25

Ionic Liquids in Polyethylene Glycol Aqueous Solutions: Salting-in and Salting-out Effects

Zoran P. Visak, José N. Canongia Lopes, Luis Paulo N. Rebelo

Journal:

Monatshefte für Chemie - Chemical Monthly

Year:

2007

Language:

english

File:

PDF, 83 KB

english, 2007

26

Molecular dynamics simulations of molten calcium hydroxyapatite

Fernando J.A.L. Cruz, José N. Canongia Lopes, Jorge C.G. Calado

Journal:

Fluid Phase Equilibria

Year:

2006

Language:

english

File:

PDF, 597 KB

english, 2006

27

Viscosity of (C2–C14) 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids in an extended temperature range

Mohammad Tariq, Pedro J. Carvalho, João A.P. Coutinho, Isabel M. Marrucho, José N. Canongia Lopes, Luís P.N. Rebelo

Journal:

Fluid Phase Equilibria

Year:

2011

Language:

english

File:

PDF, 384 KB

english, 2011

28

Three commentaries on the nano-segregated structure of ionic liquids

Karina Shimizu, Margarida F. Costa Gomes, Agílio A.H. Pádua, Luís P.N. Rebelo, José N. Canongia Lopes

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 2.62 MB

english, 2010

29

Nanostructural Organization in Ionic Liquids

Canongia Lopes, José N. A., Pádua, Agílio A. H.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 349 KB

english, 2006

30

Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions

Canongia Lopes, José N., Pádua, Agílio A. H.

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 74 KB

english, 2004

31

CL&P: A generic and systematic force field for ionic liquids modeling

José N. Canongia Lopes, Agílio A. H. Pádua

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 547 KB

english, 2012

32

On the Self-Aggregation and Fluorescence Quenching Aptitude of Surfactant Ionic Liquids

Canongia Lopes, José N., Seddon, Kenneth R., Rebelo, Luís Paulo N., Blesic, Marijana, Lopes, António, Melo, Eurico, Petrovski, Zeljko, Plechkova, Natalia V.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 218 KB

english, 2008

33

ChemInform Abstract: Surface Tension of Ionic Liquids and Ionic Liquid Solutions

Mohammad Tariq, Mara G. Freire, Benilde Saramago, Joao A. P. Coutinho, Jose N. Canongia Lopes, Luis Paulo N. Rebelo

Journal:

Year:

2012

File:

PDF, 18 KB

2012

34

Interaction diagrams for carbon nanotubes under combined shortening–twisting

Bruno Faria, Nuno Silvestre, José N. Canongia Lopes

Journal:

Composites Science and Technology

Year:

2011

Language:

english

File:

PDF, 1.44 MB

english, 2011

35

The Structure of Aqueous Solutions of a Hydrophilic Ionic Liquid: The Full Concentration Range of 1-Ethyl-3-methylimidazolium Ethylsulfate and Water

Bernardes, Carlos E. S., Minas da Piedade, Manuel E., Canongia Lopes, José N.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 1005 KB

english, 2011

36

ChemInform Abstract: Aqueous Biphasic Systems: A Boost Brought about by Using Ionic Liquids

Mara G. Freire, Ana Filipa M. Claudio, Joao M. M. Araujo, Joao A. P. Coutinho, Isabel M. Marrucho, Jose N. Canongia Lopes, Luis Paulo N. Rebelo

Journal:

Year:

2012

File:

PDF, 18 KB

2012

37

Deviations from Ideality in Mixtures of Two Ionic Liquids Containing a Common Ion

Canongia Lopes, José N., Cordeiro, Telma C., Esperança, José M. S. S., Guedes, Henrique J. R., Huq, Susanne, Rebelo, Luis P. N., Seddon, Kenneth R.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 337 KB

english, 2005

38

Inorganic salts in purely ionic liquid media: the development of high ionicity ionic liquids (HIILs)

Pereiro, Ana B., Araújo, João M. M., Oliveira, Filipe S., Bernardes, Carlos E. S., Esperança, José M. S. S., Canongia Lopes, José N., Marrucho, Isabel M., Rebelo, Luís P. N.

Journal:

Chemical Communications

Year:

2012

Language:

english

File:

PDF, 2.33 MB

english, 2012

39

Modeling Ionic Liquids Using a Systematic All-Atom Force Field

Canongia Lopes, José N., Deschamps, Johnny, Pádua, Agílio A. H.

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 165 KB

english, 2004

40

Molecular Solutes in Ionic Liquids: A Structural Perspective

Pádua, Agílio A. H., Costa Gomes, Margarida F., Canongia Lopes, José N. A.

Journal:

Accounts of Chemical Research

Year:

2007

Language:

english

File:

PDF, 3.68 MB

english, 2007

41

Experimental and Molecular Dynamics Simulation Study of the Sublimation and Vaporization Energetics of Iron Metalocenes. Crystal Structures of Fe(η 5 -C 5 H 4 CH 3 ) 2 and Fe[(η 5 -(C 5 H 5 )(η 5 -C 5 H 4 CHO)]

Lousada, Cláudio M., Pinto, Susana S., Canongia Lopes, José N., Minas da Piedade, M. Fátima, Diogo, Hermínio P., Minas da Piedade, Manuel E.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 307 KB

english, 2008

42

Interaction between the π-System of Toluene and the Imidazolium Ring of Ionic Liquids: A Combined NMR and Molecular Simulation Study

Gutel, Thibaut, Santini, Catherine C., Pádua, Agílio A. H., Fenet, Bernard, Chauvin, Yves, Canongia Lopes, José N., Bayard, François, Costa Gomes, Margarida F., Pensado, Alfonso S.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 975 KB

english, 2009

43

The Nature of Protic Ionic Liquids in the Gas Phase Revisited: Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Study of 1,1,3,3-Tetramethylguanidinium Chloride

Vitorino, Joana, Leal, João P., Minas da Piedade, Manuel E., Canongia Lopes, José N., Esperança, José M. S. S., Rebelo, Luís Paulo N.

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 463 KB

english, 2010

44

The Nature of Ionic Liquids in the Gas Phase

Leal, João P., Esperança, José M. S. S., Minas da Piedade, Manuel E., Canongia Lopes, José N., Rebelo, Luís P. N., Seddon, Kenneth R.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 257 KB

english, 2007

45

1-Alkyl-3-methylimidazolium alkanesulfonate ionic liquids, [CnH2n+1mim][CkH2k+1SO3]: synthesis and physicochemical properties

Blesic, Marijana, Swadźba-Kwaśny, Małgorzata, Belhocine, Tayeb, Gunaratne, H. Q. Nimal, Lopes, José N. Canongia, Gomes, Margarida F. Costa, Pádua, Agílio A. H., Seddon, Kenneth R., Rebelo, Luís Paulo

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.22 MB

english, 2009

46

Aqueous biphasic systems: a boost brought about by using ionic liquids

Freire, Mara G., Cláudio, Ana Filipa M., Araújo, João M. M., Coutinho, João A. P., Marrucho, Isabel M., Lopes, José N. Canongia, Rebelo, Luís Paulo N.

Journal:

Chemical Society Reviews

Year:

2012

Language:

english

File:

PDF, 4.84 MB

english, 2012

47

Hydrogen-Bonding and the Dissolution Mechanism of Uracil in an Acetate Ionic Liquid: New Insights from NMR Spectroscopy and Quantum Chemical Calculations

Araújo, João M. M., Pereiro, Ana B., Canongia Lopes, José N., Rebelo, Luís P. N., Marrucho, Isabel M.

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 2.47 MB

english, 2013

48

New Insight into Phase Equilibria Involving Imidazolium Bistriflamide Ionic Liquids and Their Mixtures with Alcohols and Water

Pereiro, Ana B., Deive, Francisco J., Rodríguez, Ana, Ruivo, Diana, Canongia Lopes, José N., Esperança, José M. S. S., Rebelo, Luís P. N.

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 786 KB

english, 2010

49

Modeling Ionic Liquids Using a Systematic All-Atom Force Field

Canongia Lopes, José N., Deschamps, Johnny, Pádua, Agílio A. H.

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 9 KB

english, 2004

50

An All-Atom Force Field for Metallocenes

Lopes, José N. Canongia, do Couto, P. Cabral, da Piedade, Manuel E. Minas

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 81 KB

english, 2006

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